-#define MAX_CG 1024
-
-typedef struct
-{
- int ncg;
- int nj;
- int jcg[MAX_CG];
-} t_ns_buf;
-
-
-/* The maximum charge group size because of minimum size of t_excl
- * could be 32 bits.
- */
-#define MAX_CHARGEGROUP_SIZE 32
-
-/* The maximum charge group size for CG-CG nblists.
- * The excl entry in t_nblist uses blocks of this size.
- */
-#define MAX_CGCGSIZE 32
-
-typedef struct t_nblist
-{
- int igeometry; /* The type of list (atom, water, etc.) */
- int ielec; /* Coulomb loop type index for kernels */
- int ielecmod; /* Coulomb modifier (e.g. switch/shift) */
- int ivdw; /* VdW loop type index for kernels */
- int ivdwmod; /* VdW modifier (e.g. switch/shift) */
- int type; /* Type of interaction, listed in
- gmx_nblist_interaction_type */
-
- int nri, maxnri; /* Current/max number of i particles */
- int nrj, maxnrj; /* Current/max number of j particles */
- int* iinr; /* The i-elements */
- int* iinr_end; /* The end atom, only with enlistCG */
- int* gid; /* Index in energy arrays */
- int* shift; /* Shift vector index */
- int* jindex; /* Index in jjnr */
- int* jjnr; /* The j-atom list */
- int* jjnr_end; /* The end atom, only with enltypeCG */
- char* excl_fep; /* Exclusions for FEP with Verlet scheme */
- t_excl* excl; /* Exclusions, only with enltypeCG */
-
- /* We use separate pointers for kernels that compute both potential
- * and force (vf suffix), only potential (v) or only force (f)
- */
- void* kernelptr_vf;
- void* kernelptr_v;
- void* kernelptr_f;
-
- /* Pad the list of neighbors for each i atom with "-1" entries up to the
- * simd_padding_width, if it is larger than 0. This is necessary for many
- * accelerated kernels using single-instruction multiple-data operations
- * internally.
- */
- int simd_padding_width;
-
-} t_nblist;
-
-/* For atom I = nblist->iinr[N] (0 <= N < nblist->nri) there can be
- * several neighborlists (N's), for different energy groups (gid) and
- * different shifts (shift).
- * For corresponding J atoms for each list start at:
- * nblist->jjnr[JI]
- * with nblist->jindex[N] <= JI < nblist->jindex[N+1]
- *
- * enlist is of the form enlistUNIT1_UNIT2:
- * UNIT ATOM: there is one atom: iinr[N] or jjnr[JI]
- * UNIT SPC: there are 3 atoms: iinr[N],iinr[N]+1,iinr[N]+2, jjnr analog.
- * UNIT TIP4P: there are 4 atoms: iinr[N],...,iinr[N]+3, jjnr analog.
- * UNIT CG: there are N atoms: iinr[N],...,iinr_end[N]-1, jjnr analog.
- *
- * Clear?
- */
-